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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4365",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4363",
"results": [
{
"id": "jvasp-57959",
"created_at": "2022-09-04T14:36:52.277341Z",
"updated_at": "2022-09-04T14:36:52.277367Z",
"structure_string": "Zn1 Fe4 O8\n1.0\n2.825350 -0.000871 -0.000439\n-1.410841 6.913422 0.306113\n-1.412159 -0.849439 6.678501\nZn Fe O\n1 4 8\ndirect\n0.468965 0.830474 0.105008 Zn\n0.808034 0.438556 0.175078 Fe\n0.645737 0.790046 0.499000 Fe\n0.330257 0.161290 0.496764 Fe\n0.147685 0.496324 0.796607 Fe\n0.524339 0.371807 0.674435 O\n0.796597 0.248015 0.342722 O\n0.169512 0.699097 0.637494 O\n0.443840 0.579028 0.306183 O\n0.176053 0.336348 0.013362 O\n0.119597 0.914030 0.322720 O\n0.809143 0.643019 0.972811 O\n0.834203 0.037507 0.628452 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 5.276171614837361,
"density_atomic": 0.09910645027878143,
"volume": 131.17208782507757,
"volume_molar": 6.0764367435823035,
"formula_full": "Zn1 Fe4 O8",
"formula_reduced": "Zn(FeO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.8664615692307693,
"spacegroup": 8
},
{
"id": "jvasp-105438",
"created_at": "2022-09-04T14:36:53.135778Z",
"updated_at": "2022-09-04T14:36:53.135804Z",
"structure_string": "Na2 Zn3 Ge1 As4\n1.0\n7.777750 -0.016633 3.551593\n6.681277 3.981735 3.551593\n0.015502 0.004251 7.130840\nNa Zn Ge As\n2 3 1 4\ndirect\n0.511249 0.511248 0.482297 Na\n0.001182 0.001182 0.000206 Na\n0.800907 0.800906 0.522776 Zn\n0.663228 0.663227 0.993386 Zn\n0.181776 0.181776 0.506801 Zn\n0.317782 0.317782 0.016764 Ge\n0.624788 0.624787 0.704784 As\n0.149948 0.149948 0.191652 As\n0.369956 0.369955 0.300847 As\n0.873302 0.873301 0.780483 As\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Na-Zn",
"density": 4.6093072500619865,
"density_atomic": 0.04516909563968668,
"volume": 221.39030809405347,
"volume_molar": 13.332435982421574,
"formula_full": "Na2 Zn3 Ge1 As4",
"formula_reduced": "Na2Zn3GeAs4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.4391432150000001,
"spacegroup": 8
},
{
"id": "jvasp-104918",
"created_at": "2022-09-04T14:36:54.250131Z",
"updated_at": "2022-09-04T14:36:54.250150Z",
"structure_string": "Ti1 Mo2 S4\n1.0\n6.129597 -0.013948 2.719140\n5.283454 3.107613 2.719140\n0.004228 0.001146 6.015614\nTi Mo S\n1 2 4\ndirect\n0.742029 0.742027 0.318555 Ti\n0.258204 0.258205 0.684623 Mo\n0.001609 0.001611 0.993668 Mo\n0.895168 0.895166 0.442552 S\n0.104748 0.104749 0.557013 S\n0.637721 0.637719 0.028819 S\n0.360521 0.360522 0.974766 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"S"
],
"chemical_system": "Mo-S-Ti",
"density": 5.314163310363054,
"density_atomic": 0.06087342806355673,
"volume": 114.99270244303376,
"volume_molar": 9.892889149782075,
"formula_full": "Ti1 Mo2 S4",
"formula_reduced": "Ti(MoS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.6690300190476175,
"spacegroup": 8
},
{
"id": "jvasp-105368",
"created_at": "2022-09-04T14:36:55.040878Z",
"updated_at": "2022-09-04T14:36:55.040905Z",
"structure_string": "V1 Cr2 S4\n1.0\n3.231869 0.000000 0.880682\n0.666883 5.259860 -2.447284\n-0.005638 0.008607 6.391082\nV Cr S\n1 2 4\ndirect\n0.258528 0.690276 0.482942 V\n0.738260 0.313361 0.523480 Cr\n0.005199 0.997282 0.989599 Cr\n0.362852 0.983008 0.274295 S\n0.637452 0.024415 0.725094 S\n0.109231 0.546647 0.781536 S\n0.888472 0.445014 0.223055 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"S"
],
"chemical_system": "Cr-S-V",
"density": 4.3244791611646205,
"density_atomic": 0.06437232029474488,
"volume": 108.74239064164126,
"volume_molar": 9.355171186041007,
"formula_full": "V1 Cr2 S4",
"formula_reduced": "V(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3810484285714293,
"spacegroup": 8
},
{
"id": "jvasp-105519",
"created_at": "2022-09-04T14:36:55.058630Z",
"updated_at": "2022-09-04T14:36:55.058651Z",
"structure_string": "Er2 Ga3 Ni1\n1.0\n4.292677 -0.005940 3.413725\n2.131584 3.726052 3.413725\n-0.002990 -0.001731 6.986389\nEr Ga Ni\n2 3 1\ndirect\n0.461639 0.461639 0.290091 Er\n0.546736 0.546736 0.703330 Er\n0.148122 0.148122 0.319994 Ga\n0.176160 0.176160 0.874702 Ga\n0.836788 0.836787 0.093605 Ga\n0.830554 0.830554 0.718276 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Ni"
],
"chemical_system": "Er-Ga-Ni",
"density": 8.94023453807457,
"density_atomic": 0.05362659625144282,
"volume": 111.88478142202752,
"volume_molar": 11.229765043754712,
"formula_full": "Er2 Ga3 Ni1",
"formula_reduced": "Er2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3409598958333333,
"spacegroup": 8
},
{
"id": "jvasp-105365",
"created_at": "2022-09-04T14:36:55.378726Z",
"updated_at": "2022-09-04T14:36:55.378734Z",
"structure_string": "Tm2 Ga3 Ni1\n1.0\n4.285928 -0.001605 3.393447\n2.127231 3.720763 3.393447\n-0.001351 -0.000784 6.950098\nTm Ga Ni\n2 3 1\ndirect\n0.538360 0.538361 0.709840 Tm\n0.453051 0.453052 0.296744 Tm\n0.851937 0.851938 0.679155 Ga\n0.823857 0.823858 0.125603 Ga\n0.163227 0.163228 0.906575 Ga\n0.169567 0.169568 0.282084 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tm",
"density": 9.071490370610828,
"density_atomic": 0.05411293940798508,
"volume": 110.87921051124087,
"volume_molar": 11.128836884272737,
"formula_full": "Tm2 Ga3 Ni1",
"formula_reduced": "Tm2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3357813125000001,
"spacegroup": 8
},
{
"id": "jvasp-106748",
"created_at": "2022-09-04T14:36:55.383070Z",
"updated_at": "2022-09-04T14:36:55.383101Z",
"structure_string": "Sm2 Ga3 Ni1\n1.0\n4.345258 -0.006628 3.554750\n2.120680 3.792628 3.554750\n-0.004886 -0.002861 7.273585\nSm Ga Ni\n2 3 1\ndirect\n0.540024 0.540025 0.709472 Sm\n0.452212 0.452212 0.298890 Sm\n0.852377 0.852377 0.686079 Ga\n0.823648 0.823648 0.121417 Ga\n0.162866 0.162867 0.907006 Ga\n0.168871 0.168871 0.277134 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sm",
"density": 7.8640680837596415,
"density_atomic": 0.04997536852669741,
"volume": 120.05914467233458,
"volume_molar": 12.050217812366718,
"formula_full": "Sm2 Ga3 Ni1",
"formula_reduced": "Sm2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4045195208333333,
"spacegroup": 8
},
{
"id": "jvasp-42497",
"created_at": "2022-09-04T14:36:56.202256Z",
"updated_at": "2022-09-04T14:36:56.202277Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.803154 -0.000000 -0.000000\n-1.901576 4.932778 -0.025985\n-0.000000 -0.051878 9.957087\nTi N O\n6 4 6\ndirect\n0.190227 0.380454 0.248681 Ti\n0.143870 0.287741 0.945419 Ti\n0.134849 0.269698 0.554337 Ti\n0.799072 0.598144 0.747346 Ti\n0.856242 0.712486 0.049675 Ti\n0.864615 0.729235 0.442434 Ti\n0.305686 0.611375 0.077208 N\n0.045490 0.090981 0.381961 N\n0.694744 0.389492 0.575588 N\n0.692867 0.385736 0.921484 N\n0.315032 0.630066 0.424087 O\n0.248919 0.497839 0.752538 O\n0.045566 0.091131 0.117105 O\n0.752726 0.505456 0.257913 O\n0.954411 0.908825 0.882905 O\n0.955668 0.911341 0.621323 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Ti",
"density": 3.904635359657862,
"density_atomic": 0.0856572483016326,
"volume": 186.7909641885501,
"volume_molar": 7.0305092439973,
"formula_full": "Ti6 N4 O6",
"formula_reduced": "Ti3N2O3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.91336275,
"spacegroup": 8
},
{
"id": "jvasp-13346",
"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Fe",
"O"
],
"chemical_system": "Fe-K-O",
"density": 2.749860000566587,
"density_atomic": 0.050502530748229794,
"volume": 257.412842631766,
"volume_molar": 11.924433628924797,
"formula_full": "K6 Fe2 O5",
"formula_reduced": "K6Fe2O5",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.153327423076923,
"spacegroup": 8
},
{
"id": "jvasp-102734",
"created_at": "2022-09-04T14:36:56.771343Z",
"updated_at": "2022-09-04T14:36:56.771365Z",
"structure_string": "K1 Li1 Zn3 O4\n1.0\n4.489734 0.006398 4.073007\n3.245865 3.101953 4.073007\n0.036289 0.014582 8.178464\nK Li Zn O\n1 1 3 4\ndirect\n0.995083 0.995085 -0.001207 K\n0.181750 0.181750 0.188298 Li\n0.800841 0.800841 0.841848 Zn\n0.630468 0.630468 0.532448 Zn\n0.375924 0.375924 0.442689 Zn\n0.240701 0.240700 0.359654 O\n0.766682 0.766682 0.637011 O\n0.405503 0.405503 0.820983 O\n0.603043 0.603043 0.178284 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Li",
"Zn",
"O"
],
"chemical_system": "K-Li-O-Zn",
"density": 4.492617428605132,
"density_atomic": 0.07950547580278035,
"volume": 113.19975019488237,
"volume_molar": 7.574498107449101,
"formula_full": "K1 Li1 Zn3 O4",
"formula_reduced": "KLiZn3O4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.4251825777777778,
"spacegroup": 8
},
{
"id": "jvasp-100440",
"created_at": "2022-09-04T14:36:57.334187Z",
"updated_at": "2022-09-04T14:36:57.334213Z",
"structure_string": "Li1 O8\n1.0\n4.359041 0.016326 2.394594\n1.989566 4.347523 1.408650\n0.041820 -0.027129 4.984089\nLi O\n1 8\ndirect\n0.492841 0.805072 0.805072 Li\n0.837388 0.338713 0.816328 O\n0.155311 0.230367 0.687269 O\n0.155312 0.687269 0.230366 O\n0.837388 0.816329 0.338712 O\n0.833879 0.268330 0.268329 O\n0.158655 0.736194 0.736194 O\n0.148004 0.156505 0.156505 O\n0.839559 0.865957 0.865956 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.3863639480816983,
"density_atomic": 0.09585209635674692,
"volume": 93.89466002395366,
"volume_molar": 6.2827428808510435,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy_above_hull": 2.587455333333333,
"spacegroup": 8
},
{
"id": "jvasp-52225",
"created_at": "2022-09-04T14:36:57.207093Z",
"updated_at": "2022-09-04T14:36:57.207115Z",
"structure_string": "Ti3 Sn3 O12\n1.0\n-4.753801 4.753801 3.121831\n-0.019806 4.730300 -3.116004\n-4.730300 0.019806 -3.116004\nTi Sn O\n3 3 12\ndirect\n0.687409 0.324143 0.324143 Ti\n0.179629 0.344728 0.344728 Ti\n0.998405 0.003942 0.003942 Ti\n0.833703 0.663170 0.663170 Sn\n0.329927 0.668123 0.668123 Sn\n0.497553 0.001487 0.001487 Sn\n0.010623 0.294609 0.691605 O\n0.660067 0.625782 0.033471 O\n0.025706 0.779201 0.779201 O\n0.370851 0.429776 0.429776 O\n0.711406 0.099696 0.099696 O\n0.284651 0.906677 0.906677 O\n0.634278 0.552417 0.552417 O\n0.323632 0.984007 0.367613 O\n0.660067 0.033471 0.625782 O\n0.323632 0.367613 0.984007 O\n0.957845 0.229547 0.229547 O\n0.010623 0.691605 0.294609 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.485259137332667,
"density_atomic": 0.08595830410160268,
"volume": 209.40385211327583,
"volume_molar": 7.005885961735393,
"formula_full": "Ti3 Sn3 O12",
"formula_reduced": "TiSnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.152769005555556,
"spacegroup": 8
}
]
}